Superstructure of a Substituted Zeolitic Imidazolate Metal-Organic Framework Determined by Combining Proton Solid-State NMR Spectroscopy and DFT Calculations

Baias, MariaLesage, AnneAguado, SoniaCanivet, JeromeMoizan-Basle, VirginieAudebrand, NathalieFarrusseng, DavidEmsley, Lyndon2015-05-192015-05-192015-05-19201510.1002/anie.201500518https://infoscience.epfl.ch/handle/20.500.14299/114008WOS:000354255400029We report the supercell crystal structure of a ZIF-8 analog substituted imidazolate metal-organic framework (SIM-1) obtained by combining solid-state nuclear magnetic resonance and powder X-ray diffraction experiments with density functional theory calculations.density functional calculationsmetal-organic frameworksporous materialssolid-state NMR spectroscopyX-ray diffractionSuperstructure of a Substituted Zeolitic Imidazolate Metal-Organic Framework Determined by Combining Proton Solid-State NMR Spectroscopy and DFT Calculationstext::journal::journal article::research article